IBS-ZINC02169448 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.1350 1.5750 1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.2500 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -0.4320 2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 0.2130 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 1.5380 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 2.2300 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 3.6480 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 4.4030 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 5.6810 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 5.6580 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 4.4180 0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 6.7430 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 6.5490 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 5.3170 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 4.2470 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 5.3950 -0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 6.6040 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 6.8430 -0.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 7.7820 -0.1670 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 4.1790 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 3.8000 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 4.4780 2.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 2.7060 1.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 2.3150 2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6540 2.0860 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0120 1.1780 1.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 1.6600 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 1.8710 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -1.7300 2.4610 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 2.1040 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -0.2580 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -0.3240 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 2.0390 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 4.0700 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.5250 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 7.7270 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 4.3600 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 3.3680 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 1.3960 3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 3.1100 3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9400 1.6640 3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1690 3.0350 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0730 0.9320 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2460 2.6080 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 2.3720 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 0.9070 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END